1-ethyl-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid
Chemical Structure Depiction of
1-ethyl-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid
1-ethyl-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid
Compound characteristics
| Compound ID: | Y504-7960 |
| Compound Name: | 1-ethyl-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid |
| Molecular Weight: | 372.36 |
| Molecular Formula: | C16 H12 N4 O5 S |
| Smiles: | CCN1C(=NC(c2c(cc(c3cccc(c3)[N+]([O-])=O)nc12)C(O)=O)=O)S |
| Stereo: | ACHIRAL |
| logP: | 3.173 |
| logD: | -3.773 |
| logSw: | -3.3815 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.7 |
| InChI Key: | KRWOZXQEZPPGJE-UHFFFAOYSA-N |